Glycoside
GD093449
Name:
NoneFormula:
C22H32O11Smiles:
CC1(C)O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@H](CO)O[C@H](OCc4ccccc4)[C@@H](O)[C@@H]3O)O[C@@H](CO)[C@H]2O1Aglycone:
CC1(C)OC2C(CO)OC(O)C(O)C2O1.OCc1ccccc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.73 |
| AlogP: | -1.37 | Num_rotatable_bonds: | 7 |
| MolWt: | 472.49 | Num_heavy_atoms: | 33 |
| TPSA: | 156.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD40411
Formula: C9H16O6
Smiles:
CC1(C)OC2C(CO)OC(O)C(O)C2O1| HBA: | 6 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -1.42 | Num_rotatable_bonds: | 1 |
| MolWt: | 220.22 | Num_heavy_atoms: | 15 |
| TPSA: | 88.38 | NumAromaticRings: | 0 |
